5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one

C17H28N4O — CID 126940720

IUPAC5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CCN3CCCC3)CC2)c1=O
InChIInChI=1S/C17H28N4O/c1-15-12-18-14-21(17(15)22)13-16-4-8-20(9-5-16)11-10-19-6-2-3-7-19/h12,14,16H,2-11,13H2,1H3
InChIKeyAMBJOLQBENGZJG-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.36
Rot. Bonds5

About 5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one

5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940720) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940720
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CCN3CCCC3)CC2)c1=O
InChIInChI=1S/C17H28N4O/c1-15-12-18-14-21(17(15)22)13-16-4-8-20(9-5-16)11-10-19-6-2-3-7-19/h12,14,16H,2-11,13H2,1H3
InChIKeyAMBJOLQBENGZJG-UHFFFAOYSA-N
XLogP1.36
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-3-({1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940897
5-Methyl-3-[2-(pyrrolidin-1-yl)ethyl]-3,4-dihydropyrimidin-4-one
CID 126857586
3-[(1-Cyclobutanecarbonylpiperidin-4-yl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940601
5-Methyl-3-{[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940651
5-Methyl-3-{[1-(pyrrolidine-1-sulfonyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940681
5-Methyl-3-{[1-(propan-2-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940713
3-[(1-Cyclopentylpiperidin-4-yl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940714
5-Methyl-3-{[1-(2-methylpropyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940716
3-[(1-Cyclohexylpiperidin-4-yl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940717
5-Methyl-3-({1-[2-(piperidin-1-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940719
5-Methyl-3-({1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940723
3-{[1-(Cyclohexylmethyl)piperidin-4-yl]methyl}-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940727

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940720) is 5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(CCN3CCCC3)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is AMBJOLQBENGZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-15-12-18-14-21(17(15)22)13-16-4-8-20(9-5-16)11-10-19-6-2-3-7-19/h12,14,16H,2-11,13H2,1H3.
What are the key properties of 5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 304.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).